Definition of the hydrogen bond (IUPAC Recommendations 2011)

Elangannan Arunan; Gautam R. Desiraju; Roger A. Klein; Joanna Sadlej; Steve Scheiner; Ibon Alkorta; David C. Clary; Robert H. Crabtree; Joseph J. Dannenberg; Pavel Hobza; Henrik G. Kjaergaard; Anthony C. Legon; Benedetta Mennucci; David J. Nesbitt

doi:10.1351/PAC-REC-10-01-02

Citing Articles

Here you can find all Crossref-listed publications in which this article is cited. If you would like to receive automatic email messages as soon as this article is cited in other publications, simply activate the “Citation Alert” on the top of this page.

[1]

Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes

Martina Kulén, Marie Lindgren, Sabine Hansen, Andrew Gerard Cairns, Christin Grundström, Afshan Begum, Ingeborg van der Lingen, Kristoffer Brännström, Michael Hall, Uwe H. Sauer, Jörgen Johansson, A. Elisabeth Sauer-Eriksson, and Fredrik Almqvist

Journal of Medicinal Chemistry, 2018

DOI: 10.1021/acs.jmedchem.8b00289

[2]

Water–NO Complex Formation and Chain Growth on Cu(111)

Hiroyuki Koshida, Shinichiro Hatta, Hiroshi Okuyama, Akitoshi Shiotari, Yoshiaki Sugimoto, and Tetsuya Aruga

The Journal of Physical Chemistry C, 2018

DOI: 10.1021/acs.jpcc.7b12447

[3]

Intramolecular O―H⋯O and C―H⋯O hydrogen bond cooperativity in D-glucopyranose and D-galactopyranose-A DFT/GIAO, QTAIM/IQA, and NCI approach

John S. Lomas

Magnetic Resonance in Chemistry, 2018

DOI: 10.1002/mrc.4728

[4]

Observation of 3D isostructurality in halogen substituted N -benzoyl- N -phenylbenzamides

Rahul Shukla, Susanta K. Nayak, Deepak Chopra, M. Kishore Reddy, and T.N. Guru Row

Journal of Molecular Structure, 2018, Volume 1164, Page 280

DOI: 10.1016/j.molstruc.2018.03.029

[5]

Substituent effect in O H⋯Se hydrogen bond—Density Functional Theory study of para -substituted phenol–SeH 2 complexes

Sanjeed Schamnad and Shamik Chakraborty

Chemical Physics Letters, 2015, Volume 622, Page 28

DOI: 10.1016/j.cplett.2015.01.012

[6]

Strengths of non-covalent interactions in hydrogen-bonded complexes B⋯HX and halogen-bonded complexes B⋯XY (X, Y = F, Cl): an ab initio investigation

Ibon Alkorta and Anthony Legon

New Journal of Chemistry, 2018

DOI: 10.1039/C8NJ00470F

[7]

Cooperative role of halogen and hydrogen bonding in the stabilization of water adducts with apolar molecules

Matteo De Santis, Francesca Nunzi, Diego Cesario, Leonardo Belpassi, Francesco Tarantelli, David Cappelletti, and Fernando Pirani

New Journal of Chemistry, 2018

DOI: 10.1039/C8NJ00552D

[8]

Nature of MoH···I bonds in Cp2 Mo(L)H···I-C≡C-R Complexes (L=H, CN, PPh2 , C(CH3 )3 ; R=NO2 , Cl, Br, H, OH, CH3 , NH2 )

Yaru Dang, Weihua Wang, Lingpeng Meng, Qingzhong Li, and Xiaoyan Li

Applied Organometallic Chemistry, 2018, Volume 32, Number 4, Page e4258

DOI: 10.1002/aoc.4258

[9]

DFT study of structures and hydrogen bonds of imidazolium based halogen-free boron containing dicationic ionic liquids

Seyed Morteza Alavi and Saied Yeganegi

Journal of Molecular Liquids, 2018, Volume 256, Page 330

DOI: 10.1016/j.molliq.2018.02.066

[10]

Dielectric dispersion, relaxation and molecular interaction of pyrazine binary mixtures

P Senthilkumar, T Ganesh, K Vinoth, M Maria Sylvester, D J S Anand Karunakaran, Praveen G Hudge, and A C Kumbharkhane

Journal of Physics Communications, 2018, Volume 2, Number 3, Page 035042

DOI: 10.1088/2399-6528/aaaee6

[11]

Assessing Many-Body Effects of Water Self-Ions. I: OH–(H2O)n Clusters

Colin K. Egan and Francesco Paesani

Journal of Chemical Theory and Computation, 2018

DOI: 10.1021/acs.jctc.7b01273

[12]

The structures of 1-(2-halo-6-fluorophenylmethyl)-1-methylimidazolium bromide salts

Fabio Lorenzini, Andrew C. Marr, Graham C. Saunders, and Hayden Thomas

Journal of Fluorine Chemistry, 2018

DOI: 10.1016/j.jfluchem.2018.03.006

[13]

Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis

Martha C. Mayorquín-Torres, Abraham Colin-Molina, Salvador Pérez-Estrada, Annia Galano, Braulio Rodríguez-Molina, and Martín A. Iglesias-Arteaga

The Journal of Organic Chemistry, 2018

DOI: 10.1021/acs.joc.8b00134

[14]

Exploring the effect of important parameters on decomposition of gas hydrate structure I: A molecular dynamics simulation study

Mohammad Fani Kheshty, Farshad Varaminian, and Nafiseh Farhadian

Journal of Natural Gas Science and Engineering, 2018, Volume 52, Page 1

DOI: 10.1016/j.jngse.2018.01.025

[15]

Halides Held by Bifurcated Chalcogen–Hydrogen Bonds. Effect of μ(S,N–H)Cl Contacts on Dimerization of Cl(carbene)PdII Species

Alexander S. Mikherdov, Alexander S. Novikov, Mikhail A. Kinzhalov, Vadim P. Boyarskiy, Galina L. Starova, Alexander Yu. Ivanov, and Vadim Yu. Kukushkin

Inorganic Chemistry, 2018

DOI: 10.1021/acs.inorgchem.8b00190

[16]

Intra-/Intermolecular Bifurcated Chalcogen Bonding in Crystal Structure of Thiazole/Thiadiazole Derived Binuclear (Diaminocarbene)PdII Complexes

Alexander Mikherdov, Alexander Novikov, Mikhail Kinzhalov, and Andrey Zolotarev

Crystals, 2018, Volume 8, Number 3, Page 112

DOI: 10.3390/cryst8030112

[17]

Hydrophobic Collapse in N-Methylacetamide–Water Mixtures

Evgeniia Salamatova, Ana V. Cunha, Robbert Bloem, Steven J. Roeters, Sander Woutersen, Thomas L. C. Jansen, and Maxim S. Pshenichnikov

The Journal of Physical Chemistry A, 2018

DOI: 10.1021/acs.jpca.8b00276

[18]

Fourier Transform Microwave Spectroscopic and ab Initio Study of the Rotamers of 2-Fluorobenzaldehyde and 3-Fluorobenzaldehyde

Wenhao Sun, Issiah Byen Lozada, and Jennifer van Wijngaarden

The Journal of Physical Chemistry A, 2018

DOI: 10.1021/acs.jpca.7b11673

[19]

Antioxidant activity of hydrated carboxylated nanodiamonds and its influence on water γ-radiolysis

Karla Santacruz-Gomez, A Sarabia-Sainz, M Acosta-Elias, M Sarabia-Sainz, Woraphong Janetanakit, Nathan Khosla, R Melendrez, Martin Pedroza Montero, and Ratnesh Lal

Nanotechnology, 2018, Volume 29, Number 12, Page 125707

DOI: 10.1088/1361-6528/aaa80e

[20]

An insight into methimazole phototautomerism: Central role of the thiyl radical and effect of benzo substitution

Elisa M. Brás and Rui Fausto

Journal of Molecular Structure, 2018

DOI: 10.1016/j.molstruc.2018.02.013

[21]

Iridium and Rhodium Complexes Containing Enantiopure Primary Amine-Tethered N-Heterocyclic Carbenes: Synthesis, Characterization, Reactivity, and Catalytic Asymmetric Hydrogenation of Ketones

Kai Y. Wan, Florian Roelfes, Alan J. Lough, F. Ekkehardt Hahn, and Robert H. Morris

Organometallics, 2018

DOI: 10.1021/acs.organomet.7b00915

[22]

Ring-Size Effects on the Stability and Spectral Shifts of Hydrogen Bonded Cyclic Ethers Complexes

Shanshan Tang, Narcisse T. Tsona, and Lin Du

Scientific Reports, 2018, Volume 8, Number 1

DOI: 10.1038/s41598-017-18191-3

[23]

Close contacts involving germanium and tin in crystal structures: experimental evidence of tetrel bonds

Patrick Scilabra, Vijith Kumar, Maurizio Ursini, and Giuseppe Resnati

Journal of Molecular Modeling, 2018, Volume 24, Number 1

DOI: 10.1007/s00894-017-3573-8

[24]

Self-Attractive Hartree Decomposition: Partitioning Electron Density into Smooth Localized Fragments

Tianyu Zhu, Piotr de Silva, and Troy Van Voorhis

Journal of Chemical Theory and Computation, 2017

DOI: 10.1021/acs.jctc.7b00931

[25]

Intramolecular HB Interactions Evidenced in Dibenzoyl Oxalamide Derivatives: NMR, QTAIM, and NCI Studies

P. Dhanishta, Sandeep Kumar Mishra, and N. Suryaprakash

The Journal of Physical Chemistry A, 2017

DOI: 10.1021/acs.jpca.7b10598

[26]

Nonconventional Hydrogen Bonds between Silver Anion and Nucleobases: Size-Selected Anion Photoelectron Spectroscopy and Density Functional Calculations

Peng Wang, Hong-Guang Xu, Guo-Jin Cao, Wen-Jing Zhang, Xi-Ling Xu, and Wei-Jun Zheng

The Journal of Physical Chemistry A, 2017

DOI: 10.1021/acs.jpca.7b09428

[27]

Theoretical investigation on the binding specificity of fluorinated sialyldisaccharides Neu5Acα(2–3)Gal and Neu5Acα(2–6)Gal with influenza hemagglutinin H1 – A Molecular Dynamics Study

Veeramani Murugan, Ponnusamy Parasuraman, Jeyasigamani F. A. Selvin, Michael M. Gromiha, Kazuhiko Fukui, and Kasinadar Veluraja

Journal of Carbohydrate Chemistry, 2017, Volume 36, Number 2-3, Page 111

DOI: 10.1080/07328303.2017.1365153

[28]

Diversity of Isomerization Patterns and Protolytic Forms in Aminocarbene PdII and PtII Complexes Formed upon Addition of N,N′-Diphenylguanidine to Metal-Activated Isocyanides

Svetlana A. Katkova, Mikhail A. Kinzhalov, Peter M. Tolstoy, Alexander S. Novikov, Vadim P. Boyarskiy, Anastasiia Yu. Ananyan, Pavel V. Gushchin, Matti Haukka, Andrey A. Zolotarev, Alexander Yu. Ivanov, Semen S. Zlotsky, and Vadim Yu. Kukushkin

Organometallics, 2017

DOI: 10.1021/acs.organomet.7b00569

[29]

Theoretical and Experimental Investigation of Acidity of the Glutamate Receptor Antagonist 6,7-Dinitro-1,4-dihydroquinoxaline-2,3-dione and Its Possible Implication in GluA2 Binding

Gutto R. S. de Freitas, Sara E. Coelho, Norberto K. V. Monteiro, Jannyely Moreira Neri, Lívia Nunes Cavalcanti, Josiel B. Domingos, Davi S. Vieira, Miguel A. F. de Souza, and Fabrício G. Menezes

The Journal of Physical Chemistry A, 2017

DOI: 10.1021/acs.jpca.7b07775

[30]

Comparison of Space-Charge Formation at Grain Boundaries in Proton-Conducting BaZrO3 and BaCeO3

Anders Lindman, Edit E. Helgee, and Göran Wahnström

Chemistry of Materials, 2017

DOI: 10.1021/acs.chemmater.7b02829

[31]

Special Issue: Intramolecular Hydrogen Bonding 2017

Steve Scheiner

Molecules, 2017, Volume 22, Number 9, Page 1521

DOI: 10.3390/molecules22091521

[32]

MD study of structure and dynamic properties of the 1- n -alkyl-3-methylimidazolium tris(perfluoroalkyl)trifluorophosphate ionic liquids

Kazem Gholizadeh, Saeid Yeganegi, and Abbas Ali Rostami

Journal of Molecular Liquids, 2017

DOI: 10.1016/j.molliq.2017.08.107

[33]

Phainanolide A, Highly Modified and Oxygenated Triterpenoid from Phyllanthus hainanensis

Yao-Yue Fan, Li-She Gan, Hong-Chun Liu, Heng Li, Cheng-Hui Xu, Jian-Ping Zuo, Jian Ding, and Jian-Min Yue

Organic Letters, 2017

DOI: 10.1021/acs.orglett.7b02181

[34]

Ruthenium-Hydride Mediated Unsymmetrical Cleavage of Benzofuroxan to 2-Nitroanilido with Varying Coordination Mode

Prabir Ghosh, Sanjib Panda, Soumyodip Banerjee, and Goutam Kumar Lahiri

Inorganic Chemistry, 2017

DOI: 10.1021/acs.inorgchem.7b01696

[35]

Physics-based all-atom modeling of RNA energetics and structure

Louis G. Smith, Jianbo Zhao, David H. Mathews, and Douglas H. Turner

Wiley Interdisciplinary Reviews: RNA, 2017, Volume 8, Number 5, Page e1422

DOI: 10.1002/wrna.1422

[36]

Confinement Effects on Carbon Dioxide Methanation: A Novel Mechanism for Abiotic Methane Formation

Thu Le, Alberto Striolo, C. Heath Turner, and David R. Cole

Scientific Reports, 2017, Volume 7, Number 1

DOI: 10.1038/s41598-017-09445-1

[37]

Dimethyl Sulfoxide Complexes Detected at Ambient Conditions

Anne S. Hansen and Henrik G. Kjaergaard

The Journal of Physical Chemistry A, 2017, Volume 121, Number 32, Page 6046

DOI: 10.1021/acs.jpca.7b06102

[38]

Quantification of Hydrogen Bond Strength Based on Interaction Coordinates: A New Approach

Sarvesh Kumar Pandey, Dhivya Manogaran, Sadasivam Manogaran, and Henry F. Schaefer

The Journal of Physical Chemistry A, 2017, Volume 121, Number 32, Page 6090

DOI: 10.1021/acs.jpca.7b04752

[39]

Molecular Dynamics Simulations of Amide Functionalized Imidazolium Bis(trifluoromethanesulfonyl)imide Dicationic Ionic Liquids

Hassan Khakan and Saeid Yeganegi

The Journal of Physical Chemistry B, 2017, Volume 121, Number 31, Page 7455

DOI: 10.1021/acs.jpcb.7b03917

[40]

High resolution SPM imaging of organic molecules with functionalized tips

Pavel Jelínek

Journal of Physics: Condensed Matter, 2017, Volume 29, Number 34, Page 343002

DOI: 10.1088/1361-648X/aa76c7

[41]

Quantum Chemical Characterization of Hydrogen Bonding Sites in Three 4-(4-Halo-Phenyl)-6-(Furan-2-yl) Pyrimidin-2-Amine Derivatives

Yafigui Traore, Kafoumba Bamba, Nahossé Ziao, Sopi Thomas Affi, and Mamadou Guy-Richard Kone

Computational Chemistry, 2017, Volume 05, Number 03, Page 91

DOI: 10.4236/cc.2017.53008

[42]

Formation Mechanism of the Spiral-Like Structure of a Hydrogen Bond Network Confined in a Fluorinated Nanochannel: A Molecular Dynamics Simulation

Ning Zhang, Yuechun Song, Jun Huo, Yan Li, Zhao Liu, Junjiang Bao, Shaomin Chen, Xuehua Ruan, and Gaohong He

The Journal of Physical Chemistry C, 2017, Volume 121, Number 25, Page 13840

DOI: 10.1021/acs.jpcc.7b01074

[43]

Chalcogen substitution: Effect of oxygen-by-sulfur exchange on structural and spectroscopic properties of flavonols

Cécilia Falantin, Aurélien Moncomble, Annaïg Le Person, and Jean-Paul Cornard

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2017, Volume 187, Page 49

DOI: 10.1016/j.saa.2017.06.022

[44]

Revisiting Hydrogen Bond Thermodynamics in Molecular Simulations

Liel Sapir and Daniel Harries

Journal of Chemical Theory and Computation, 2017, Volume 13, Number 6, Page 2851

DOI: 10.1021/acs.jctc.7b00238

[45]

Conformation of Ethylene Glycol in the Liquid State: Intra- versus Intermolecular Interactions

Aman Jindal and Sukumaran Vasudevan

The Journal of Physical Chemistry B, 2017, Volume 121, Number 22, Page 5595

DOI: 10.1021/acs.jpcb.7b02853

[46]

First Crystal Structures of Pharmaceutical Ibrutinib: Systematic Solvate Screening and Characterization

Vít Zvoníček, Eliška Skořepová, Michal Dušek, Martin Babor, Pavel Žvátora, and Miroslav Šoóš

Crystal Growth & Design, 2017, Volume 17, Number 6, Page 3116

DOI: 10.1021/acs.cgd.7b00047

[47]

NMR and IR Investigations of Strong Intramolecular Hydrogen Bonds

Poul Erik Hansen and Jens Spanget-Larsen

Molecules, 2017, Volume 22, Number 4, Page 552

DOI: 10.3390/molecules22040552

[48]

Guest Hydrogen Bond Dynamics and Interactions in the Metal–Organic Framework MIL-53(Al) Measured with Ultrafast Infrared Spectroscopy

Jun Nishida and Michael D. Fayer

The Journal of Physical Chemistry C, 2017, Volume 121, Number 21, Page 11880

DOI: 10.1021/acs.jpcc.7b02458

[49]

Theoretical study on the formation mechanism of polychlorinated dibenzothiophenes/thianthrenes from 2-chlorothiophenol molecules

Xiaoqing Yu, Jiamin Chang, Xian Liu, Wenxiao Pan, and Aiqian Zhang

Journal of Environmental Sciences, 2017

DOI: 10.1016/j.jes.2017.05.007

[50]

Kinetic Energy Density as a Predictor of Hydrogen-Bonded OH-Stretching Frequencies

Joseph R. Lane, Anne S. Hansen, Kasper Mackeprang, and Henrik G. Kjaergaard

The Journal of Physical Chemistry A, 2017, Volume 121, Number 18, Page 3452

DOI: 10.1021/acs.jpca.7b02523

[51]

Polarization Effects on the Cellulose Dissolution in Ionic Liquids: Molecular Dynamics Simulations with Polarization Model and Integrated Tempering Enhanced Sampling Method

Zigui Kan, Qiang Zhu, Lijiang Yang, Zhixiong Huang, Biaobing Jin, and Jing Ma

The Journal of Physical Chemistry B, 2017, Volume 121, Number 17, Page 4319

DOI: 10.1021/acs.jpcb.6b12647

[52]

Salts and Cocrystals of the Antidiabetic Drugs Gliclazide, Tolbutamide, and Glipizide: Solubility Enhancements through Drug–Coformer Interactions

Ali Samie, Gautam R. Desiraju, and Manas Banik

Crystal Growth & Design, 2017, Volume 17, Number 5, Page 2406

DOI: 10.1021/acs.cgd.6b01804

[53]

Preferential CH3NH3+ Alignment and Octahedral Tilting Affect Charge Localization in Cubic Phase CH3NH3PbI3

Byungkyun Kang and Koushik Biswas

The Journal of Physical Chemistry C, 2017, Volume 121, Number 15, Page 8319

DOI: 10.1021/acs.jpcc.7b01184

[54]

Bonding Matters

Giancarlo Terraneo and Giuseppe Resnati

Crystal Growth & Design, 2017, Volume 17, Number 4, Page 1439

DOI: 10.1021/acs.cgd.7b00309

[55]

Dominant conformer of tetrahydropyran-2-methanol and its clusters in the gas phase explored by the use of VUV photoionization and vibrational spectroscopy

Huaqi Zhan, Yongjun Hu, Pengchao Wang, and Jiaxin Chen

The Journal of Chemical Physics, 2017, Volume 146, Number 13, Page 134303

DOI: 10.1063/1.4979298

[56]

Theoretical investigation into the influence of molar ratio on binding energy, mechanical property and detonation performance of 1,3,5,7-tetranitro-1,3,5,7-tetrazacyclo octane (HMX)/1-methyl-4,5-dinitroimidazole (MDNI) cocrystal explosive

Gang Han, Rui-jun Gou, Fu-de Ren, Shu-hai Zhang, Chun-lei Wu, and Shuang-fei Zhu

Computational and Theoretical Chemistry, 2017, Volume 1109, Page 27

DOI: 10.1016/j.comptc.2017.03.044

[57]

Quantum mechanical electronic structure calculation reveals orientation dependence of hydrogen bond energy in proteins

Abhisek Mondal and Saumen Datta

Proteins: Structure, Function, and Bioinformatics, 2017, Volume 85, Number 6, Page 1046

DOI: 10.1002/prot.25271

[58]

Resistance to Nucleotide Excision Repair of Bulky Guanine Adducts Opposite Abasic Sites in DNA Duplexes and Relationships between Structure and Function

Zhi Liu, Shuang Ding, Konstantin Kropachev, Jia Lei, Shantu Amin, Suse Broyde, Nicholas E. Geacintov, and Maria Spies

PLOS ONE, 2015, Volume 10, Number 9, Page e0137124

DOI: 10.1371/journal.pone.0137124

[59]

Intermolecular Aliphatic C–F···H–C Interaction in the Presence of “Stronger” Hydrogen Bond Acceptors: Crystallographic, Computational, and IR Studies

Cody Ross Pitts, Maxime A. Siegler, and Thomas Lectka

The Journal of Organic Chemistry, 2017, Volume 82, Number 7, Page 3996

DOI: 10.1021/acs.joc.7b00268

[60]

Rationalization of the mechanism of in situ Pd(0) formation for cross-coupling reactions from novel unsymmetrical pincer palladacycles using DFT calculations

Sarote Boonseng, Gavin W. Roffe, Msugh Targema, John Spencer, and Hazel Cox

Journal of Organometallic Chemistry, 2017, Volume 845, Page 71

DOI: 10.1016/j.jorganchem.2017.02.040

[61]

Structural Distortions Accompanying Noncovalent Interactions: Methane–Water, the Simplest C–H Hydrogen Bond

Herzain I. Rivera-Arrieta, Justin M. Turney, and Henry F. Schaefer

Journal of Chemical Theory and Computation, 2017, Volume 13, Number 3, Page 1478

DOI: 10.1021/acs.jctc.6b01008

[62]

Vibrational transitions in hydrogen bonded bimolecular complexes – A local mode perturbation theory approach to transition frequencies and intensities

Kasper Mackeprang and Henrik G. Kjaergaard

Journal of Molecular Spectroscopy, 2017, Volume 334, Page 1

DOI: 10.1016/j.jms.2017.02.005

[63]

Bicomponent Supramolecular Architectures at the Vacuum–Solid Interface

Xavier Bouju, Cristina Mattioli, Grégory Franc, Adeline Pujol, and André Gourdon

Chemical Reviews, 2017, Volume 117, Number 3, Page 1407

DOI: 10.1021/acs.chemrev.6b00389

[64]

The role of local residue environmental changes in thermostable mutants of the GH11 xylanase from Bacillus subtilis

Sérgio Bergamachi Silva, Matheus Pinto Pinheiro, Carlos Alessandro Fuzo, Samuel Reghim Silva, Tatiane Lopes Ferreira, Marcos Roberto Lourenzoni, M. Cristina Nonato, Davi Serradella Vieira, and Richard John Ward

International Journal of Biological Macromolecules, 2017, Volume 97, Page 574

DOI: 10.1016/j.ijbiomac.2017.01.054

[65]

Nature of the chemical bond from the point of view of the degree of overlapping of electron shells for ions, atoms, and molecules

I.V. Zhyganiuk

Reports of the National Academy of Sciences of Ukraine, 2017, Number 12, Page 36

DOI: 10.15407/dopovidi2016.12.036

[66]

Noncovalent Interactions in Specific Recognition Motifs of Protein–DNA Complexes

Olga A. Stasyuk, David Jakubec, Jiří Vondrášek, and Pavel Hobza

Journal of Chemical Theory and Computation, 2017, Volume 13, Number 2, Page 877

DOI: 10.1021/acs.jctc.6b00775

[67]

Some Brief Notes on Theoretical and Experimental Investigations of Intramolecular Hydrogen Bonding

Lucjan Sobczyk, Dorota Chudoba, Peter Tolstoy, and Aleksander Filarowski

Molecules, 2016, Volume 21, Number 12, Page 1657

DOI: 10.3390/molecules21121657

[68]

Solvent-Modulated Influence of Intramolecular Hydrogen-Bonding on the Conformational Properties of the Hydroxymethyl Group in Glucose and Galactose: A Molecular Dynamics Simulation Study

Alice Lonardi, Pavel Oborský, and Philippe H. Hünenberger

Helvetica Chimica Acta, 2017, Volume 100, Number 1, Page e1600158

DOI: 10.1002/hlca.201600158

[69]

Physical Stabilization of Pharmaceutical Glasses Based on Hydrogen Bond Reorganization under Sub-TgTemperature

Satoshi Tominaka, Kohsaku Kawakami, Mayuko Fukushima, and Aoi Miyazaki

Molecular Pharmaceutics, 2017, Volume 14, Number 1, Page 264

DOI: 10.1021/acs.molpharmaceut.6b00866

[70]

The crystal structure of carbamoyl fluoride, NH2COF

Amanda F. Baxter, Karl O. Christe, and Ralf Haiges

Structural Chemistry, 2017, Volume 28, Number 2, Page 303

DOI: 10.1007/s11224-016-0875-x

[71]

Rotational spectra and conformer geometries of 2-fluorophenol and 3-fluorophenol

Aimee Bell, James Singer, Durell Desmond, Omar Mahassneh, and Jennifer van Wijngaarden

Journal of Molecular Spectroscopy, 2017, Volume 331, Page 53

DOI: 10.1016/j.jms.2016.11.007

[72]

Assessment of the Presence and Strength of H-Bonds by Means of Corrected NMR

Steve Scheiner

Molecules, 2016, Volume 21, Number 12, Page 1426

DOI: 10.3390/molecules21111426

[73]

NMR Scalar Couplings across Intermolecular Hydrogen Bonds between Zinc-Finger Histidine Side Chains and DNA Phosphate Groups

Abhijnan Chattopadhyay, Alexandre Esadze, Sourav Roy, and Junji Iwahara

The Journal of Physical Chemistry B, 2016, Volume 120, Number 41, Page 10679

DOI: 10.1021/acs.jpcb.6b08137

[74]

Potential role of selected antiepileptics used in neuropathic pain as human GABA transporter isoform 1 (GAT1) inhibitors—Molecular docking and pharmacodynamic studies

Łukasz Fijałkowski, Kinga Sałat, Adrian Podkowa, Paula Zaręba, and Alicja Nowaczyk

European Journal of Pharmaceutical Sciences, 2017, Volume 96, Page 362

DOI: 10.1016/j.ejps.2016.10.004

[75]

Computer simulation of thermoplastic elastomers from rubber-plastic blends and comparison with experiments

Subhabrata Saha and Anil K. Bhowmick

Polymer, 2016, Volume 103, Page 233

DOI: 10.1016/j.polymer.2016.09.065

[76]

Microsolvation of Fluoromethane

Robert E. Rosenberg

The Journal of Physical Chemistry A, 2016, Volume 120, Number 38, Page 7519

DOI: 10.1021/acs.jpca.6b07063

[77]

Experimental observation of structures with subtle balance between strong hydrogen bond and weak n → π* interaction: Gas phase laser spectroscopy of 7-azaindole⋯fluorosubstituted pyridines

Santosh K. Singh, Jamuna K. Vaishnav, and Aloke Das

The Journal of Chemical Physics, 2016, Volume 145, Number 10, Page 104302

DOI: 10.1063/1.4962358

[78]

Computational Discovery of Hydrogen Bond Design Rules for Electrochemical Ion Separation

Terry Z. H. Gani, Efthymios I. Ioannidis, and Heather J. Kulik

Chemistry of Materials, 2016, Volume 28, Number 17, Page 6207

DOI: 10.1021/acs.chemmater.6b02378

[79]

Local Phase Separation of Co-solvents Enhances Pretreatment of Biomass for Bioenergy Applications

Barmak Mostofian, Charles M. Cai, Micholas Dean Smith, Loukas Petridis, Xiaolin Cheng, Charles E. Wyman, and Jeremy C. Smith

Journal of the American Chemical Society, 2016, Volume 138, Number 34, Page 10869

DOI: 10.1021/jacs.6b03285

[80]

Theoretical Investigation of Noncovalent Interactions between Low-Rank Coal and Water

Junhong Wu, Jianzhong Liu, Shao Yuan, Zhihua Wang, Junhu Zhou, and Kefa Cen

Energy & Fuels, 2016, Volume 30, Number 9, Page 7118

DOI: 10.1021/acs.energyfuels.6b01377

[81]

Anharmonic Calculation of the Structure, Vibrational Frequencies, and Intensities of the NH3···cis-HONO and NH3···cis-DONO Complexes

V. P. Bulychev, M. V. Buturlimova, and K. G. Tokhadze

The Journal of Physical Chemistry A, 2016, Volume 120, Number 33, Page 6637

DOI: 10.1021/acs.jpca.6b05346

[82]

Intramolecular Hydrogen Bonding in Substituted Aminoalcohols

Joseph R. Lane, Sidsel D. Schrøder, Graham C. Saunders, and Henrik G. Kjaergaard

The Journal of Physical Chemistry A, 2016, Volume 120, Number 32, Page 6371

DOI: 10.1021/acs.jpca.6b05898

[83]

Communication: Physical origins of ionization potential shifts in mixed carboxylic acids and water complexes

Quanli Gu, Zhen Tang, Peifeng Su, Wei Wu, Zhijun Yang, Carl O. Trindle, and Joseph L. Knee

The Journal of Chemical Physics, 2016, Volume 145, Number 5, Page 051101

DOI: 10.1063/1.4959970

[84]

Adsorption of dibutyl phthalate in aqueous solution by mesoporous calcium silicate grafted non-woven polypropylene

Xiaohui Wang, Kongyin Zhao, Bingxing Yang, Tian Chen, Dongying Li, Hui Wu, Junfu Wei, and Xiaoqing Wu

Chemical Engineering Journal, 2016, Volume 306, Page 452

DOI: 10.1016/j.cej.2016.07.076

[85]

Molecular Structure and Interactions in the Ionic Liquid 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate

Dheeraj K. Singh, Bernd Rathke, Johannes Kiefer, and Arnulf Materny

The Journal of Physical Chemistry A, 2016, Volume 120, Number 31, Page 6274

DOI: 10.1021/acs.jpca.6b03849

[86]

Anab InitioStudy of the Effect of Substituents on then→ π* Interactions between 7-Azaindole and 2,6-Difluorosubstituted Pyridines

Santosh K. Singh, Aloke Das, and Gary W. Breton

The Journal of Physical Chemistry A, 2016, Volume 120, Number 31, Page 6258

DOI: 10.1021/acs.jpca.6b03119

[87]

Nanoscale Structure and Elasticity of Pillared DNA Nanotubes

Himanshu Joshi, Atul Kaushik, Nadrian C. Seeman, and Prabal K. Maiti

ACS Nano, 2016, Volume 10, Number 8, Page 7780

DOI: 10.1021/acsnano.6b03360

[88]

A Global Analytical Representation of the Potential Energy Surface of the FHF–Anion

Yann Cornaton and Roberto Marquardt

The Journal of Physical Chemistry A, 2016, Volume 120, Number 30, Page 5959

DOI: 10.1021/acs.jpca.6b05325

[89]

Competition between Hydrogen Bonding and Proton Transfer during Specific Anion Recognition by Dihomooxacalix[4]arene Bidentate Ureas

Eduardo Martínez-González, Felipe J. González, José R. Ascenso, Paula M. Marcos, and Carlos Frontana

The Journal of Organic Chemistry, 2016, Volume 81, Number 15, Page 6329

DOI: 10.1021/acs.joc.6b00962

[90]

The Nature of the Noncovalent Interactions between Benzene and C60Fullerene

Ming-Ming Li, Yi-Bo Wang, Yu Zhang, and Weizhou Wang

The Journal of Physical Chemistry A, 2016, Volume 120, Number 28, Page 5766

DOI: 10.1021/acs.jpca.6b06492

[91]

Intermolecular charge transfer as evidence for unusual O–H⋯C(sp3) hydrogen bond

Alexander N. Isaev

Computational and Theoretical Chemistry, 2016, Volume 1090, Page 180

DOI: 10.1016/j.comptc.2016.06.014

[92]

Analysis of Hydrogen Bonds in Crystals

Sławomir Grabowski

Crystals, 2016, Volume 6, Number 5, Page 59

DOI: 10.3390/cryst6050059

[93]

Hydrogen and Dihydrogen Bonds in the Reactions of Metal Hydrides

Natalia V. Belkova, Lina M. Epstein, Oleg A. Filippov, and Elena S. Shubina

Chemical Reviews, 2016, Volume 116, Number 15, Page 8545

DOI: 10.1021/acs.chemrev.6b00091

[94]

Adsorption of Substituted Benzene Derivatives on Silica: Effects of Electron Withdrawing and Donating Groups

Joshua Abelard, Amanda R. Wilmsmeyer, Angela C. Edwards, Wesley O. Gordon, Erin M. Durke, Christopher J. Karwacki, Diego Troya, and John R. Morris

The Journal of Physical Chemistry C, 2016, Volume 120, Number 24, Page 13024

DOI: 10.1021/acs.jpcc.6b02028

[95]

Claws, Disorder, and Conformational Dynamics of the C-Terminal Region of Human Desmoplakin

Charles E. McAnany and Cameron Mura

The Journal of Physical Chemistry B, 2016, Volume 120, Number 33, Page 8654

DOI: 10.1021/acs.jpcb.6b03261

[96]

Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs

Wei Fang, Ji Chen, Mariana Rossi, Yexin Feng, Xin-Zheng Li, and Angelos Michaelides

The Journal of Physical Chemistry Letters, 2016, Volume 7, Number 11, Page 2125

DOI: 10.1021/acs.jpclett.6b00777

[97]

Degeneracy Lifting Effect in the FTIR Spectrum of Fluoroform Trapped in a Nitrogen Matrix. An Experimental and Car–Parrinello Molecular Dynamics Study

Ruslan E. Asfin, Sona M. Melikova, Alexandra V. Domanskaya, Paweł Rodziewicz, and Konstantin S. Rutkowski

The Journal of Physical Chemistry A, 2016, Volume 120, Number 20, Page 3497

DOI: 10.1021/acs.jpca.6b02039

[98]

Analysis of the Cybotactic Region of Two Renewable Lactone–Water Mixed-Solvent Systems that Exhibit Synergistic Kamlet–Taft Basicity

Alif Duereh, Yoshiyuki Sato, Richard Lee Smith, and Hiroshi Inomata

The Journal of Physical Chemistry B, 2016, Volume 120, Number 19, Page 4467

DOI: 10.1021/acs.jpcb.6b03090

[99]

Role of Weak Hydrogen Bonds and Halogen Bonds in 5-Halo-1,3-dimethyluracils and Their Cocrystals—A Combined Experimental and Computational Study

Gustavo Portalone, Jani O. Moilanen, Heikki M. Tuononen, and Kari Rissanen

Crystal Growth & Design, 2016, Volume 16, Number 5, Page 2631

DOI: 10.1021/acs.cgd.5b01727

[100]

Perspective: How good is DFT for water?

Michael J. Gillan, Dario Alfè, and Angelos Michaelides

The Journal of Chemical Physics, 2016, Volume 144, Number 13, Page 130901

DOI: 10.1063/1.4944633

[101]

Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia–Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape

Shaibal Banerjee, Saikat Sinha, Padmanava Pradhan, Alessio Caruso, Daniel Liebowitz, Damon Parrish, Miriam Rossi, and Barbara Zajc

The Journal of Organic Chemistry, 2016, Volume 81, Number 10, Page 3983

DOI: 10.1021/acs.joc.5b02580

[102]

Triplet excited electronic state switching induced by hydrogen bonding: A transient absorption spectroscopy and time-dependent DFT study

Venkatraman Ravi Kumar, Freek Ariese, and Siva Umapathy

The Journal of Chemical Physics, 2016, Volume 144, Number 11, Page 114301

DOI: 10.1063/1.4943514

[103]

Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications

Jan Řezáč and Pavel Hobza

Chemical Reviews, 2016, Volume 116, Number 9, Page 5038

DOI: 10.1021/acs.chemrev.5b00526

[104]

A Structural and Spectroscopic Study of the First Uranyl Selenocyanate, [Et4N]3[UO2(NCSe)5]

Stefano Nuzzo, Michelle Browne, Brendan Twamley, Michael Lyons, and Robert Baker

Inorganics, 2016, Volume 4, Number 1, Page 4

DOI: 10.3390/inorganics4010004

[105]

Molecularly Tuning the Radicaloid N–H···O═C Hydrogen Bond

Norman Lu, Wei-Cheng Chung, Rebecca M. Ley, Kwan-Yu Lin, Joseph S. Francisco, and Ei-ichi Negishi

The Journal of Physical Chemistry A, 2016, Volume 120, Number 8, Page 1307

DOI: 10.1021/acs.jpca.6b00144

[106]

Dissection of the Factors Affecting Formation of a CH∙∙∙O H-Bond. A Case Study

Steve Scheiner

Crystals, 2015, Volume 5, Number 3, Page 327

DOI: 10.3390/cryst5030327

[107]

Experimental and Theoretical Studies in Hydrogen-Bonding Organocatalysis

Matej Žabka and Radovan Šebesta

Molecules, 2015, Volume 20, Number 9, Page 15500

DOI: 10.3390/molecules200915500

[108]

H2XP:OH2 Complexes: Hydrogen vs. Pnicogen Bonds

Ibon Alkorta, Janet Del Bene, and Jose Elguero

Crystals, 2016, Volume 6, Number 2, Page 19

DOI: 10.3390/cryst6020019

[109]

Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution

Peter Nagy

International Journal of Molecular Sciences, 2014, Volume 15, Number 11, Page 19562

DOI: 10.3390/ijms151119562

[110]

Molecular dynamics and simulations study on the vibrational and electronic solvatochromism of benzophenone

Venkatraman Ravi Kumar, Chandra Verma, and Siva Umapathy

The Journal of Chemical Physics, 2016, Volume 144, Number 6, Page 064302

DOI: 10.1063/1.4941058

[111]

Computer Modeling of Halogen Bonds and Other σ-Hole Interactions

Michal H. Kolář and Pavel Hobza

Chemical Reviews, 2016, Volume 116, Number 9, Page 5155

DOI: 10.1021/acs.chemrev.5b00560

[112]

Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study

Jérôme Graton, Jean-Yves Le Questel, Peter Maxwell, and Paul Popelier

Journal of Chemical Information and Modeling, 2016, Volume 56, Number 2, Page 322

DOI: 10.1021/acs.jcim.5b00574

[113]

Exploiting the Role of Molecular Electrostatic Potential, Deformation Density, Topology, and Energetics in the Characterization of S···N and Cl···N Supramolecular Motifs in Crystalline Triazolothiadiazoles

Imtiaz Khan, Piyush Panini, Salah Ud-Din Khan, Usman Ali Rana, Hina Andleeb, Deepak Chopra, Shahid Hameed, and Jim Simpson

Crystal Growth & Design, 2016, Volume 16, Number 3, Page 1371

DOI: 10.1021/acs.cgd.5b01499

[114]

Infrared spectroscopic probing of dimethylamine clusters in an Ar matrix

Siyang Li, Henrik G. Kjaergaard, and Lin Du

Journal of Environmental Sciences, 2016, Volume 40, Page 51

DOI: 10.1016/j.jes.2015.09.012

[115]

Photochemistry of CH3Cl: Dissociation and CH···Cl Hydrogen Bond Formation

Vanessa C. de Medeiros, Railton B. de Andrade, Ezequiel F. V. Leitão, Elizete Ventura, Glauco F. Bauerfeldt, Mario Barbatti, and Silmar A. do Monte

Journal of the American Chemical Society, 2016, Volume 138, Number 1, Page 272

DOI: 10.1021/jacs.5b10573

[116]

Molecular Dynamics Simulation of the Aggregation Patterns in Aqueous Solutions of Bile Salts at Physiological Conditions

Fatmegyul Mustan, Anela Ivanova, Galia Madjarova, Slavka Tcholakova, and Nikolai Denkov

The Journal of Physical Chemistry B, 2015, Volume 119, Number 51, Page 15631

DOI: 10.1021/acs.jpcb.5b07063

[117]

Arene-Perfluoroarene-Anion Stacking and Hydrogen Bonding Interactions in Imidazolium Salts for the Crystal Engineering of Polarity

Hanan I. Althagbi, Alison J. Edwards, Brian K. Nicholson, Daniel A. Reason, Graham C. Saunders, Sophie A. Sim, and Danielle A. van der Heijden

Crystal Growth & Design, 2016, Volume 16, Number 1, Page 174

DOI: 10.1021/acs.cgd.5b01077

[118]

Bulk and interfacial liquid water as a transient network

Miriam Jahn and Stephan Gekle

Physical Review E, 2015, Volume 92, Number 5

DOI: 10.1103/PhysRevE.92.052130

[119]

Substituent Effects in CH Hydrogen Bond Interactions: Linear Free Energy Relationships and Influence of Anions

Blakely W. Tresca, Ryan J. Hansen, Calvin V. Chau, Benjamin P. Hay, Lev N. Zakharov, Michael M. Haley, and Darren W. Johnson

Journal of the American Chemical Society, 2015, Volume 137, Number 47, Page 14959

DOI: 10.1021/jacs.5b08767

[120]

Exploring the Role of Substitution on the Formation of Se···O/N Noncovalent Bonds

Rahul Shukla and Deepak Chopra

The Journal of Physical Chemistry B, 2015, Volume 119, Number 47, Page 14857

DOI: 10.1021/acs.jpcb.5b08684

[121]

Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4]−(X = F, Cl, Br, I, At, Uus)

Wan-Lu Li, Yong Li, Cong-Qiao Xu, Xue-Bin Wang, Erich Vorpagel, and Jun Li

Inorganic Chemistry, 2015, Volume 54, Number 23, Page 11157

DOI: 10.1021/acs.inorgchem.5b01489

[122]

Structural and Dynamical Properties of a Deep Eutectic Solvent Confined Inside a Slit Pore

Yan Shen, Xiaoxia He, and Francisco R. Hung

The Journal of Physical Chemistry C, 2015, Volume 119, Number 43, Page 24489

DOI: 10.1021/acs.jpcc.5b08172

[123]

N-octane diffusivity enhancement via carbon dioxide in silica slit-shaped nanopores – a molecular dynamics simulation

Thu Le, Stephanie Ogbe, Alberto Striolo, and David R. Cole

Molecular Simulation, 2016, Volume 42, Number 9, Page 745

DOI: 10.1080/08927022.2015.1089991

[124]

Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching

Avik Kumar Pati, Santosh J. Gharpure, and Ashok K. Mishra

The Journal of Physical Chemistry A, 2015, Volume 119, Number 42, Page 10481

DOI: 10.1021/acs.jpca.5b08445

[125]

On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts

I. de Pedro, A. García-Saiz, J. Dupont, P. Migowski, O. Vallcorba, J. Junquera, J. Rius, and J. Rodríguez Fernández

Crystal Growth & Design, 2015, Volume 15, Number 11, Page 5207

DOI: 10.1021/acs.cgd.5b00633

[126]

Intramolecular Hydrogen Bonding in Methyl Lactate

Sidsel D. Schrøder, Jens H. Wallberg, Jay A. Kroll, Zeina Maroun, Veronica Vaida, and Henrik G. Kjaergaard

The Journal of Physical Chemistry A, 2015, Volume 119, Number 37, Page 9692

DOI: 10.1021/acs.jpca.5b04812

[127]

Atomistic Modeling of Water Thermodynamics and Kinetics within MIL-100(Fe)

Panagiotis D. Kolokathis, Evangelia Pantatosaki, and George K. Papadopoulos

The Journal of Physical Chemistry C, 2015, Volume 119, Number 34, Page 20074

DOI: 10.1021/acs.jpcc.5b04284

[128]

Comparison of CH···O, SH···O, Chalcogen, and Tetrel Bonds Formed by Neutral and Cationic Sulfur-Containing Compounds

Steve Scheiner

The Journal of Physical Chemistry A, 2015, Volume 119, Number 34, Page 9189

DOI: 10.1021/acs.jpca.5b06831

[129]

Hydrogen Bond Formation between the Carotenoid Canthaxanthin and the Silanol Group on MCM-41 Surface

Yunlong Gao, Dayong Xu, and Lowell D. Kispert

The Journal of Physical Chemistry B, 2015, Volume 119, Number 33, Page 10488

DOI: 10.1021/acs.jpcb.5b05645

[130]

Intra-molecular hydrogen bonding stabilization based-fluorescent chemosensor for CO2: Application to screen relative activities of CO2 absorbents

Seungyoon Kang, Jongseob Kim, Joo-Hyoung Park, Chi Kyu Ahn, Chang-Houn Rhee, and Min Su Han

Dyes and Pigments, 2015, Volume 123, Page 125

DOI: 10.1016/j.dyepig.2015.07.033

[131]

l-serine picrates

B.A. Zakharov, V.V. Ghazaryan, E.V. Boldyreva, and A.M. Petrosyan

Journal of Molecular Structure, 2015, Volume 1100, Page 255

DOI: 10.1016/j.molstruc.2015.07.051

[132]

Quantitative Analyses of Molecular Surface Electrostatic Potentials in Relation to Hydrogen Bonding and Co-Crystallization

Peter Politzer and Jane S. Murray

Crystal Growth & Design, 2015, Volume 15, Number 8, Page 3767

DOI: 10.1021/acs.cgd.5b00419

[133]

The A in SAFT: developing the contribution of association to the Helmholtz free energy within a Wertheim TPT1 treatment of generic Mie fluids

Simon Dufal, Thomas Lafitte, Andrew J. Haslam, Amparo Galindo, Gary N.I. Clark, Carlos Vega, and George Jackson

Molecular Physics, 2015, Volume 113, Number 9-10, Page 948

DOI: 10.1080/00268976.2015.1029027

[134]

Symmetry breaking in the axial symmetrical configurations of enolic propanedial, propanedithial, and propanediselenal: pseudo Jahn–Teller effect versus the resonance-assisted hydrogen bond theory

Elahe Jalali and Davood Nori-Shargh

Canadian Journal of Chemistry, 2015, Volume 93, Number 6, Page 673

DOI: 10.1139/cjc-2015-0071

[135]

Effect of mono- and di-hydration on the stability and tautomerisms of different tautomers of creatinine: A thermodynamic and mechanistic study

Younes Valadbeigi, Vahideh Ilbeigi, and Mahmoud Tabrizchi

Computational and Theoretical Chemistry, 2015, Volume 1061, Page 27

DOI: 10.1016/j.comptc.2015.03.008

[136]

Barrierless proton transfer across weak CH⋯O hydrogen bonds in dimethyl ether dimer

Bruce L. Yoder, Ksenia B. Bravaya, Andras Bodi, Adam H. C. West, Bálint Sztáray, and Ruth Signorell

The Journal of Chemical Physics, 2015, Volume 142, Number 11, Page 114303

DOI: 10.1063/1.4914456

[137]

Facile and green fabrication of biomimetic gelatin–siloxane hybrid hydrogel with highly elastic properties for biomedical applications

Yumeng Xue, Ling Wang, Yongping Shao, Jin Yan, Xiaofeng Chen, and Bo Lei

Chemical Engineering Journal, 2014, Volume 251, Page 158

DOI: 10.1016/j.cej.2014.04.049

[138]

The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes

Kasper Mackeprang, Vesa Hänninen, Lauri Halonen, and Henrik G. Kjaergaard

The Journal of Chemical Physics, 2015, Volume 142, Number 9, Page 094304

DOI: 10.1063/1.4913737

[139]

Frequent side chain methyl carbon-oxygen hydrogen bonding in proteins revealed by computational and stereochemical analysis of neutron structures

Joseph D. Yesselman, Scott Horowitz, Charles L. Brooks, and Raymond C. Trievel

Proteins: Structure, Function, and Bioinformatics, 2015, Volume 83, Number 3, Page 403

DOI: 10.1002/prot.24724

[140]

Cryogenic ion trap vibrational spectroscopy of hydrogen-bonded clusters relevant to atmospheric chemistry

Nadja Heine and Knut R. Asmis

International Reviews in Physical Chemistry, 2015, Volume 34, Number 1, Page 1

DOI: 10.1080/0144235X.2014.979659

[141]

Crossover in structure and dynamics of a primary alcohol induced by hydrogen-bonds dilution

Leila Hennous, Abdel Razzak Abdel Hamid, Ronan Lefort, Denis Morineau, Patrice Malfreyt, and Aziz Ghoufi

The Journal of Chemical Physics, 2014, Volume 141, Number 20, Page 204503

DOI: 10.1063/1.4902012

[142]

Intermolecular Contrast in Atomic Force Microscopy Images without Intermolecular Bonds

Sampsa K. Hämäläinen, Nadine van der Heijden, Joost van der Lit, Stephan den Hartog, Peter Liljeroth, and Ingmar Swart

Physical Review Letters, 2014, Volume 113, Number 18

DOI: 10.1103/PhysRevLett.113.186102

[143]

Rotational spectra of propargyl alcohol dimer: A dimer bound with three different types of hydrogen bonds

Devendra Mani and E. Arunan

The Journal of Chemical Physics, 2014, Volume 141, Number 16, Page 164311

DOI: 10.1063/1.4898378

[144]

Atomic energy analysis of cooperativity, anti-cooperativity, and non-cooperativity in small clusters of methanol, water, and formaldehyde

Laura Albrecht and Russell J. Boyd

Computational and Theoretical Chemistry, 2015, Volume 1053, Page 328

DOI: 10.1016/j.comptc.2014.08.022

[145]

Impact of structural features of odorant molecules on their retention/release behaviours in dairy and pectin gels

Charfedinne Ayed, Samuel Lubbers, Isabelle Andriot, Yacine Merabtine, Elisabeth Guichard, and Anne Tromelin

Food Research International, 2014, Volume 62, Page 846

DOI: 10.1016/j.foodres.2014.04.050

[146]

Inorganic Amino-Nitro-Guanidinium Derivatives

Niko Fischer, Thomas M. Klapötke, Karin Lux, Franz A. Martin, and Jörg Stierstorfer

Crystals, 2012, Volume 2, Number 4, Page 675

DOI: 10.3390/cryst2020675

[147]

Hydrogen bonding in stereoregular poly(methyl methacrylate)/poly(vinyl chloride) blends as studied by molecular dynamics simulations

Chaofu Wu

Molecular Simulation, 2015, Volume 41, Number 7, Page 547

DOI: 10.1080/08927022.2014.899695

[148]

Theoretical Study on Stable Small Clusters of Oxalic Acid with Ammonia and Water

Kevin H. Weber, Qian Liu, and Fu-Ming Tao

The Journal of Physical Chemistry A, 2014, Volume 118, Number 8, Page 1451

DOI: 10.1021/jp4128226

[149]

Influence of the nature of hydrogen halides and metal cations on the interaction types between borazine and hydrogen halides

Hongying Zhuo, Qingzhong Li, Xiulin An, Wenzuo Li, and Jianbo Cheng

Journal of Molecular Modeling, 2014, Volume 20, Number 2

DOI: 10.1007/s00894-014-2089-8

[150]

Nature of Brønsted acid-noble atom contacts: A reevaluation of hydrogen bonding criteria

Dawid Gąszowski and Marek Ilczyszyn

International Journal of Quantum Chemistry, 2014, Volume 114, Number 7, Page 473

DOI: 10.1002/qua.24612

[151]

Theoretical and experimental studies of the interactions between Au2− and nucleobases

Guo-Jin Cao, Hong-Guang Xu, Wei-Jun Zheng, and Jun Li

Physical Chemistry Chemical Physics, 2014, Volume 16, Number 7, Page 2928

DOI: 10.1039/c3cp54478h

[152]

A Fuzzy-Atom Analysis of Electron Delocalization on Hydrogen Bonds

L. Guillaumes, P. Salvador, and S. Simon

The Journal of Physical Chemistry A, 2014, Volume 118, Number 6, Page 1142

DOI: 10.1021/jp4119869

[153]

Complexation of n SO2 molecules (n = 1, 2, 3) with formaldehyde and thioformaldehyde

Luis Miguel Azofra and Steve Scheiner

The Journal of Chemical Physics, 2014, Volume 140, Number 3, Page 034302

DOI: 10.1063/1.4861432

[154]

Quantum mechanical investigations on the role of C-terminal residue in influencing the structural features of dipeptides containing N-terminal proline

Gunajyoti Das and Shilpi Mandal

Journal of Molecular Graphics and Modelling, 2014, Volume 49, Page 1

DOI: 10.1016/j.jmgm.2013.12.009

[155]

Water's non-tetrahedral side

Richard H. Henchman and Stuart J. Cockram

Faraday Discussions, 2013, Volume 167, Page 529

DOI: 10.1039/c3fd00080j

[156]

Polymer Complexation by Hydrogen Bonding at the Interface

Shuguang Yang, Songmei Ma, Chunyan Wang, Jian Xu, and Meifang Zhu

Australian Journal of Chemistry, 2014, Volume 67, Number 1, Page 11

DOI: 10.1071/CH13485

[157]

Investigating hydrogen bonds in liquid ethylene glycol structure by means of molecular dynamics

D. K. Belashchenko, M. N. Rodnikova, N. K. Balabaev, and I. A. Solonina

Russian Journal of Physical Chemistry A, 2014, Volume 88, Number 1, Page 94

DOI: 10.1134/S0036024414010063

[158]

Self-Assembly and Chemical Modifications of Bisphenol A on Cu(111): Interplay Between Ordering and Thermally Activated Stepwise Deprotonation

Sybille Fischer, Anthoula C. Papageorgiou, Julian A. Lloyd, Seung Cheol Oh, Katharina Diller, Francesco Allegretti, Florian Klappenberger, Ari Paavo Seitsonen, Joachim Reichert, and Johannes V. Barth

ACS Nano, 2014, Volume 8, Number 1, Page 207

DOI: 10.1021/nn4030493

[159]

A Magnetic Ionic Liquid Based on Tetrachloroferrate Exhibits Three-Dimensional Magnetic Ordering: A Combined Experimental and Theoretical Study of the Magnetic Interaction Mechanism

Abel García-Saiz, Pedro Migowski, Oriol Vallcorba, Javier Junquera, Jesús Angel Blanco, Jesús Antonio González, María Teresa Fernández-Díaz, Jordi Rius, Jairton Dupont, Jesús Rodríguez Fernández, and Imanol de Pedro

Chemistry - A European Journal, 2014, Volume 20, Number 1, Page 72

DOI: 10.1002/chem.201303602

[160]

Spectroscopic probe on N–H⋯N, N–H⋯O and controversial C–H⋯O contact in A–T base pair: A DFT study

Venkatesan Srinivasadesikan, Prabhat K. Sahu, and Shyi-Long Lee

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014, Volume 120, Page 542

DOI: 10.1016/j.saa.2013.11.110

[161]

Hydrogen-Bond Acidity of OH Groups in Various Molecular Environments (Phenols, Alcohols, Steroid Derivatives, and Amino Acids Structures): Experimental Measurements and Density Functional Theory Calculations

Jérôme Graton, François Besseau, Anne-Marie Brossard, Eloïse Charpentier, Arnaud Deroche, and Jean-Yves Le Questel

The Journal of Physical Chemistry A, 2013, Volume 117, Number 49, Page 13184

DOI: 10.1021/jp410027h

[162]

Intermolecular Interaction in the NH3–H2and H2O–H2Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer

Fernando Pirani, David Cappelletti, Leonardo Belpassi, and Francesco Tarantelli

The Journal of Physical Chemistry A, 2013, Volume 117, Number 47, Page 12601

DOI: 10.1021/jp408214p

[163]

Surface Processes on Interstellar Amorphous Solid Water: Adsorption, Diffusion, Tunneling Reactions, and Nuclear-Spin Conversion

Tetsuya Hama and Naoki Watanabe

Chemical Reviews, 2013, Volume 113, Number 12, Page 8783

DOI: 10.1021/cr4000978

[164]

Pressure-Induced Hydrogen Bond Symmetrization in Iron Oxyhydroxide

Weiming Xu, Eran Greenberg, Gregory Kh. Rozenberg, Moshe P. Pasternak, Elena Bykova, Tiziana Boffa-Ballaran, Leonid Dubrovinsky, Vitali Prakapenka, Michael Hanfland, Olga Yu. Vekilova, Sergei I. Simak, and Igor A. Abrikosov

Physical Review Letters, 2013, Volume 111, Number 17

DOI: 10.1103/PhysRevLett.111.175501

[165]

Nucleotide insertion initiated by van der Waals interaction during polymerase beta DNA replication

ANDREW DAS ARULSAMY

Journal of Chemical Sciences, 2013, Volume 125, Number 5, Page 1223

DOI: 10.1007/s12039-013-0452-4

[166]

A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates

Gregory J. Rees, Stephen P. Day, Alberth Lari, Andrew P. Howes, Dinu Iuga, Mateusz B. Pitak, Simon J. Coles, Terry L. Threlfall, Mark E. Light, Mark E. Smith, David Quigley, John D. Wallis, and John V. Hanna

CrystEngComm, 2013, Volume 15, Number 43, Page 8823

DOI: 10.1039/c3ce41258j

[167]

Halogen and Hydrogen Bonded Complexes of 5-Iodouracil

Arto Valkonen, Maryna Chukhlieb, Jani Moilanen, Heikki M. Tuononen, and Kari Rissanen

Crystal Growth & Design, 2013, Volume 13, Number 11, Page 4769

DOI: 10.1021/cg400924n

[168]

NH3–NO Coadsorption System on Pt(111). II. Intermolecular Interaction

Andrea Cepellotti, Angelo Peronio, Stefano Marchini, Nasiba Abdurakhmanova, Carlo Dri, Cristina Africh, Friedrich Esch, Giovanni Comelli, and Maria Peressi

The Journal of Physical Chemistry C, 2013, Volume 117, Number 41, Page 21196

DOI: 10.1021/jp406069q

[169]

Dual Bonding between H2O/H2S and AgCl/CuCl: Cu/Ag Bond, Sister Bond to Au Bond

Guiqiu Zhang, Xingjuan Zhao, and Dezhan Chen

The Journal of Physical Chemistry A, 2013, Volume 117, Number 42, Page 10944

DOI: 10.1021/jp407890t

[170]

Magnitude and Mechanism of Charge Enhancement of CH··O Hydrogen Bonds

Upendra Adhikari and Steve Scheiner

The Journal of Physical Chemistry A, 2013, Volume 117, Number 40, Page 10551

DOI: 10.1021/jp4081788

[171]

The Roles of Dihydrogen Bonds in Amine Borane Chemistry

Xuenian Chen, Ji-Cheng Zhao, and Sheldon G. Shore

Accounts of Chemical Research, 2013, Volume 46, Number 11, Page 2666

DOI: 10.1021/ar400099g

[172]

Ion-Pairing of Phosphonium Salts in Solution: CH⋅⋅⋅Halogen and CH⋅⋅⋅π Hydrogen Bonds

Johannes Ammer, Christoph Nolte, Konstantin Karaghiosoff, Sebastian Thallmair, Peter Mayer, Regina de Vivie-Riedle, and Herbert Mayr

Chemistry - A European Journal, 2013, Volume 19, Number 43, Page 14612

DOI: 10.1002/chem.201204561

[173]

Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach

José Manuel Guevara-Vela, Rodrigo Chávez-Calvillo, Marco García-Revilla, Jesús Hernández-Trujillo, Ove Christiansen, Evelio Francisco, Ángel Martín Pendás, and Tomás Rocha-Rinza

Chemistry - A European Journal, 2013, Volume 19, Number 42, Page 14304

DOI: 10.1002/chem.201300656

[174]

The quest for self-consistency in hydrogen bond definitions

Diego Prada-Gracia, Roman Shevchuk, and Francesco Rao

The Journal of Chemical Physics, 2013, Volume 139, Number 8, Page 084501

DOI: 10.1063/1.4818885

[175]

Synthesis, Structural Characterisation, and Preliminary Evaluation of Non-Indolin-2-one-based Angiogenesis Inhibitors Related to Sunitinib (Sutent�)

Pichit Sudta, Nicholas Kirk, Anna Bezos, Anthony Gurlica, Rhys Mitchell, Thomas Weber, Anthony C. Willis, Samran Prabpai, Palangpon Kongsaeree, Christopher R. Parish, Sunit Suksamrarn, and Michael J. Kelso

Australian Journal of Chemistry, 2013, Volume 66, Number 8, Page 864

DOI: 10.1071/CH13219

[176]

The X–C⋯Y (X = O/F, Y = O/S/F/Cl/Br/N/P) ‘carbon bond’ and hydrophobic interactions

Devendra Mani and E. Arunan

Physical Chemistry Chemical Physics, 2013, Volume 15, Number 34, Page 14377

DOI: 10.1039/c3cp51658j

[177]

Halogen–halogen interaction in view of many-body approach

Justyna Dominikowska and Marcin Palusiak

Chemical Physics Letters, 2013, Volume 583, Page 8

DOI: 10.1016/j.cplett.2013.07.055

[178]

Graphene-Oxide-Stabilized Atomic Ti for H2O2Activation and Propylene Epoxidation: A First-Principle Study

Jia Hu

The Journal of Physical Chemistry C, 2013, Volume 117, Number 31, Page 16005

DOI: 10.1021/jp402206c

[179]

Tracing Hydrogen Bonding Au···H–C at Gold Atoms: A Case Study

Florian Kraus, Hubert Schmidbaur, and Salih S. Al-juaid

Inorganic Chemistry, 2013, Volume 52, Number 16, Page 9669

DOI: 10.1021/ic4014762

[180]

How Strong Is Hydrogen Bonding in Ionic Liquids? Combined X-ray Crystallographic, Infrared/Raman Spectroscopic, and Density Functional Theory Study

Sergey A. Katsyuba, Mikhail V. Vener, Elena E. Zvereva, Zhaofu Fei, Rosario Scopelliti, Gabor Laurenczy, Ning Yan, Emilia Paunescu, and Paul J. Dyson

The Journal of Physical Chemistry B, 2013, Volume 117, Number 30, Page 9094

DOI: 10.1021/jp405255w

[181]

Are Bond Critical Points Really Critical for Hydrogen Bonding?

Joseph R. Lane, Julia Contreras-García, Jean-Philip Piquemal, Benjamin J. Miller, and Henrik G. Kjaergaard

Journal of Chemical Theory and Computation, 2013, Volume 9, Number 8, Page 3263

DOI: 10.1021/ct400420r

[182]

Association ofN-(Pyridin-2-yl),N′-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation

Borys Ośmiałowski, Karina Mroczyńska, Erkki Kolehmainen, Magdalena Kowalska, Arto Valkonen, Marek Pietrzak, and Kari Rissanen

The Journal of Organic Chemistry, 2013, Volume 78, Number 15, Page 7582

DOI: 10.1021/jo4011393

[183]

Identification of non-classical C–H⋯M interactions in early and late transition metal complexes containing the CH(ArO)3 ligand

Matthias Lein, John A. Harrison, and Alastair J. Nielson

Dalton Transactions, 2013, Volume 42, Number 30, Page 10939

DOI: 10.1039/c3dt51028j

[184]

Fe as Hydrogen/Halogen Bond Acceptor in Square Pyramidal Fe(CO)5

P. Aiswaryalakshmi, Devendra Mani, and E. Arunan

Inorganic Chemistry, 2013, Volume 52, Number 15, Page 9153

DOI: 10.1021/ic4015114

[185]

Different Zeroes of Interaction Energies As the Cause of Opposite Results on the Stabilizing Nature of C–H···O Intramolecular Interactions

Mirosław Jabłoński and Guglielmo Monaco

Journal of Chemical Information and Modeling, 2013, Volume 53, Number 7, Page 1661

DOI: 10.1021/ci400085t

[186]

Structure and dynamics of a complex of cellulose with EDA: insights into the action of amines on cellulose

Daisuke Sawada, Yoshiharu Nishiyama, Loukas Petridis, R. Parthasarathi, S. Gnanakaran, V. Trevor Forsyth, Masahisa Wada, and Paul Langan

Cellulose, 2013, Volume 20, Number 4, Page 1563

DOI: 10.1007/s10570-013-9974-7

[187]

1H NMR spectra of alkane-1,3-diols in benzene: GIAO/DFT shift calculations

John S. Lomas

Magnetic Resonance in Chemistry, 2013, Volume 51, Number 8, Page 469

DOI: 10.1002/mrc.3973

[188]

Crystal Engineering: From Molecule to Crystal

Gautam R. Desiraju

Journal of the American Chemical Society, 2013, Volume 135, Number 27, Page 9952

DOI: 10.1021/ja403264c

[189]

First Example of Hydrogen Bonding to Platinum Hydride

Oleg A. Filippov, Vladislava A. Kirkina, Natalia V. Belkova, Sergio Stoccoro, Antonio Zucca, Galina M. Babakhina, Lina M. Epstein, and Elena S. Shubina

Zeitschrift für Physikalische Chemie, 2013, Volume 227, Number 6-7, Page 869

DOI: 10.1524/zpch.2013.0393

[190]

The temperature dependent structure of liquid 1-propanol as studied by neutron diffraction and EPSR simulations

Per Sillrén, Jan Swenson, Johan Mattsson, Daniel Bowron, and Aleksandar Matic

The Journal of Chemical Physics, 2013, Volume 138, Number 21, Page 214501

DOI: 10.1063/1.4807863

[191]

A quantum chemical view of enthalpy–entropy compensation

Martin Korth

MedChemComm, 2013, Volume 4, Number 6, Page 1025

DOI: 10.1039/c3md00038a

[192]

Shear Induced Irreversible Gelation through Physical Network Formation

Tahmineh Mahmoudi, Vahid Karimkhani, Gwang Seok Song, Dai Soo Lee, and Florian J. Stadler

Macromolecules, 2013, Volume 46, Number 10, Page 4141

DOI: 10.1021/ma302297w

[193]

Dihydrogen bond and X-H…σ interaction as sub-classes of hydrogen bond

Sławomir J. Grabowski

Journal of Physical Organic Chemistry, 2013, Volume 26, Number 6, Page 452

DOI: 10.1002/poc.3109

[194]

Evaluating the COSMO-RS Method for Modeling Hydrogen Bonding in Solution

Sofja Tshepelevitsh, Merit Oss, Astrid Pung, and Ivo Leito

ChemPhysChem, 2013, Volume 14, Number 9, Page 1909

DOI: 10.1002/cphc.201300186

[195]

Enabling Nucleophilic Substitution Reactions of Activated Alkyl Fluorides through Hydrogen Bonding

Pier Alexandre Champagne, Julien Pomarole, Marie-Ève Thérien, Yasmine Benhassine, Samuel Beaulieu, Claude Y. Legault, and Jean-François Paquin

Organic Letters, 2013, Volume 15, Number 9, Page 2210

DOI: 10.1021/ol400765a

[196]

Hydrogen-bonded complexes of serotonin with methanol and ethanol: a DFT study

A. Mano Priya, L. Senthilkumar, and P. Kolandaivel

Structural Chemistry, 2014, Volume 25, Number 1, Page 139

DOI: 10.1007/s11224-013-0260-y

[197]

Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations

João M. M. Araújo, Ana B. Pereiro, José N. Canongia Lopes, Luís P. N. Rebelo, and Isabel M. Marrucho

The Journal of Physical Chemistry B, 2013, Volume 117, Number 15, Page 4109

DOI: 10.1021/jp400749j

[198]

Probing Hydrogen Bond Energies by Mass Spectrometry

Hai-Feng Su, Lan Xue, Yun-Hua Li, Shui-Chao Lin, Yi-Mei Wen, Rong-Bin Huang, Su-Yuan Xie, and Lan-Sun Zheng

Journal of the American Chemical Society, 2013, Volume 135, Number 16, Page 6122

DOI: 10.1021/ja312133k

[199]

A conserved threonine spring-loads precursor for intein splicing

Albert K. Dearden, Brian Callahan, Patrick Van Roey, Zhong Li, Utsav Kumar, Marlene Belfort, and Saroj K. Nayak

Protein Science, 2013, Volume 22, Number 5, Page 557

DOI: 10.1002/pro.2236

[200]

An Interplay of Cooperativity between Cation⋅⋅⋅π, Anion⋅⋅⋅π and CH⋅⋅⋅Anion Interactions

Tarun K. Mandal, Siddhartha Samanta, Sourav Chakraborty, and Ayan Datta

ChemPhysChem, 2013, Volume 14, Number 6, Page 1149

DOI: 10.1002/cphc.201300128

[201]

Raman scattering and DFT calculations used for analyzing the structural features of DMSO in water and methanol

Shweta Singh, Sunil K. Srivastava, and Dheeraj K. Singh

RSC Advances, 2013, Volume 3, Number 13, Page 4381

DOI: 10.1039/c3ra22730h

[202]

Steering On-Surface Self-Assembly of High-Quality Hydrocarbon Networks with Terminal Alkynes

Nenad Kepčija, Yi-Qi Zhang, Martin Kleinschrodt, Jonas Björk, Svetlana Klyatskaya, Florian Klappenberger, Mario Ruben, and Johannes V. Barth

The Journal of Physical Chemistry C, 2013, Volume 117, Number 8, Page 3987

DOI: 10.1021/jp310606r

[203]

C–H···Y Hydrogen Bonds in the Complexes ofp-Cresol andp-Cyanophenol with Fluoroform and Chloroform

Pranav R. Shirhatti, Dilip K. Maity, and Sanjay Wategaonkar

The Journal of Physical Chemistry A, 2013, Volume 117, Number 11, Page 2307

DOI: 10.1021/jp311596x

[204]

[Pd(Fmes)2(tmeda)]: A Case of Intermittent CH⋅⋅⋅FC Hydrogen-Bond Interaction in Solution

Camino Bartolomé, Fernando Villafañe, Jose M. Martín-Alvarez, Jesús M. Martínez-Ilarduya, and Pablo Espinet

Chemistry - A European Journal, 2013, Volume 19, Number 11, Page 3702

DOI: 10.1002/chem.201203512

[205]

Characterizing Crystal Disorder of Trospium Chloride: A Comprehensive,13C CP/MAS NMR, DSC, FTIR, and XRPD Study

Martina Urbanova, Adriana Sturcova, Jiri Brus, Hynek Benes, Eliska Skorepova, Bohumil Kratochvil, Jan Cejka, Ivana Sedenkova, Libor Kobera, Olivia Policianova, and Antonin Sturc

Journal of Pharmaceutical Sciences, 2013, Volume 102, Number 4, Page 1235

DOI: 10.1002/jps.23457

[206]

Hydrogen bonding: Homing in on a tricky chemical concept

Paul Needham

Studies in History and Philosophy of Science Part A, 2013, Volume 44, Number 1, Page 51

DOI: 10.1016/j.shpsa.2012.04.001

[207]

1H NMR spectra of ethane-1,2-diol and other vicinal diols in benzene: GIAO/DFT shift calculations

John S. Lomas

Magnetic Resonance in Chemistry, 2013, Volume 51, Number 1, Page 32

DOI: 10.1002/mrc.3899

[208]

Lotta Berg, Moritz S. Niemiec, Weixing Qian, C. David Andersson, Pernilla Wittung-Stafshede, Fredrik Ekström, and Anna Linusson

Angewandte Chemie, 2012, Volume 124, Number 51, Page 12888

DOI: 10.1002/ange.201205113

[209]

Lotta Berg, Moritz S. Niemiec, Weixing Qian, C. David Andersson, Pernilla Wittung-Stafshede, Fredrik Ekström, and Anna Linusson

Angewandte Chemie International Edition, 2012, Volume 51, Number 51, Page 12716

DOI: 10.1002/anie.201205113

[210]

Anomalous Swelling of Polymer Monolayers by Water Vapor

Michal Wagman, Shlomi Medalion, and Yitzhak Rabin

Macromolecules, 2012, Volume 45, Number 23, Page 9517

DOI: 10.1021/ma3018553

[211]

Coordination Chemistry and Reactivity of a Cupric Hydroperoxide Species Featuring a Proximal H-Bonding Substituent

Sunghee Kim, Claudio Saracini, Maxime A. Siegler, Natalia Drichko, and Kenneth D. Karlin

Inorganic Chemistry, 2012, Volume 51, Number 23, Page 12603

DOI: 10.1021/ic302071e

[212]

Odd–Even and Hydrophobicity Effects of Diacetylene Alkyl Chains on Thermochromic Reversibility of Symmetrical and Unsymmetrical Diyndiamide Polydiacetylenes

Sasikarn Ampornpun, Suriyakamon Montha, Gamolwan Tumcharern, Viwat Vchirawongkwin, Mongkol Sukwattanasinitt, and Sumrit Wacharasindhu

Macromolecules, 2012, Volume 45, Number 22, Page 9038

DOI: 10.1021/ma3019798

[213]

Insights into the ultraviolet spectrum of liquid water from model calculations: The different roles of donor and acceptor hydrogen bonds in water pentamers

Paulo Cabral do Couto and Daniel M. Chipman

The Journal of Chemical Physics, 2012, Volume 137, Number 18, Page 184301

DOI: 10.1063/1.4764044

[214]

Diamond–Water Coupling Effects in Raman and Photoluminescence Spectra of Nanodiamond Colloidal Suspensions

Tatiana A. Dolenko, Sergey A. Burikov, Jessica M. Rosenholm, Olga A. Shenderova, and Igor I. Vlasov

The Journal of Physical Chemistry C, 2012, Volume 116, Number 45, Page 24314

DOI: 10.1021/jp306803n

[215]

Nature of the attractive interaction between proton acceptors and organic ring systems

Emmanuel Arras, Ari Paavo Seitsonen, Florian Klappenberger, and Johannes V. Barth

Physical Chemistry Chemical Physics, 2012, Volume 14, Number 46, Page 15995

DOI: 10.1039/c2cp42293j

[216]

Detailed comparison of the pnicogen bond with chalcogen, halogen, and hydrogen bonds

Steve Scheiner

International Journal of Quantum Chemistry, 2013, Volume 113, Number 11, Page 1609

DOI: 10.1002/qua.24357

[217]

Does Fluoromethane Form a Hydrogen Bond with Water?

Robert E. Rosenberg

The Journal of Physical Chemistry A, 2012, Volume 116, Number 44, Page 10842

DOI: 10.1021/jp308533b

[218]

Molecular recognition between DNA and a copper-based anticancer complex

Rodrigo Galindo-Murillo, Lena Ruíz-Azuara, Rafael Moreno-Esparza, and Fernando Cortés-Guzmán

Physical Chemistry Chemical Physics, 2012, Volume 14, Number 44, Page 15539

DOI: 10.1039/c2cp42185b

[219]

Can a Single Molecule of Water be Completely Isolated Within the Subnano-Space Inside the Fullerene C60Cage? A Quantum Chemical Prospective

Arpita Varadwaj and Pradeep R. Varadwaj

Chemistry - A European Journal, 2012, Volume 18, Number 48, Page 15345

DOI: 10.1002/chem.201200969

[220]

Thermal Fluctuations and Infrared Spectra of the Formamide–Formamidine Complex

Łukasz Walewski, Artur Smaga, Bogdan Lesyng, and Joanna Sadlej

The Journal of Physical Chemistry A, 2012, Volume 116, Number 42, Page 10412

DOI: 10.1021/jp3054636

[221]

Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation

Aku Suhonen, Elisa Nauha, Kirsi Salorinne, Kaisa Helttunen, and Maija Nissinen

CrystEngComm, 2012, Volume 14, Number 21, Page 7398

DOI: 10.1039/c2ce25981h

[222]

Influence of cooperativity on the frequency shift of the Ar–H stretch vibration in HArF complexes

Xiaofeng Liu, Qingzhong Li, Jianbo Cheng, and Wenzuo Li

Molecular Physics, 2013, Volume 111, Number 4, Page 497

DOI: 10.1080/00268976.2012.728639

[223]

Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)

Alvaro S. de Sousa, Denzel Sannasy, Manuel A. Fernandes, and Helder M. Marques

Acta Crystallographica Section C Crystal Structure Communications, 2012, Volume 68, Number 10, Page o383

DOI: 10.1107/S0108270112037195

[224]

Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion−π–Anion and Nonclassical C–H···Anion Interactions

Sally Brooker, Nicholas G. White, Antonio Bauzá, Pere M. Deyà, and Antonio Frontera

Inorganic Chemistry, 2012, Volume 51, Number 19, Page 10334

DOI: 10.1021/ic3014688

[225]

Hydrogen bonds in galactopyranoside and glucopyranoside: a density functional theory study

Zahrabatoul Mosapour Kotena, Reza Behjatmanesh-Ardakani, Rauzah Hashim, and Vijayan Manickam Achari

Journal of Molecular Modeling, 2013, Volume 19, Number 2, Page 589

DOI: 10.1007/s00894-012-1576-z

[226]

Thermal reactivities of non-reducing sugars in polyether—Role of intermolecular hydrogen bonding in pyrolysis

Haruo Kawamoto, Yoshiki Ueno, and Shiro Saka

Journal of Analytical and Applied Pyrolysis, 2013, Volume 103, Page 287

DOI: 10.1016/j.jaap.2012.08.009

[227]

The nature of hydrogen bonds and conjugation in H-bonded systems

Yu. V. Novakovskaya

Russian Journal of Physical Chemistry A, 2012, Volume 86, Number 9, Page 1385

DOI: 10.1134/S0036024412090087

[228]

N-H…X (X = F, Cl, Br, and I) hydrogen bonding in aromatic amide derivatives in crystal structures

DongYun Wang, JiLiang Wang, DanWei Zhang, and ZhanTing Li

Science China Chemistry, 2012, Volume 55, Number 10, Page 2018

DOI: 10.1007/s11426-012-4716-5

[229]

Aromatic Amide Foldamers: Structures, Properties, and Functions

Dan-Wei Zhang, Xin Zhao, Jun-Li Hou, and Zhan-Ting Li

Chemical Reviews, 2012, Volume 112, Number 10, Page 5271

DOI: 10.1021/cr300116k

[230]

Directionality of Inter- and Intramolecular OHO Hydrogen Bonds: DFT Study Followed by AIM and NBO Analysis

Irena Majerz

The Journal of Physical Chemistry A, 2012, Volume 116, Number 30, Page 7992

DOI: 10.1021/jp300942n

[231]

Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry

David Cappelletti, Enrico Ronca, Leonardo Belpassi, Francesco Tarantelli, and Fernando Pirani

Accounts of Chemical Research, 2012, Volume 45, Number 9, Page 1571

DOI: 10.1021/ar3000635

[232]

Aminoguanidinium and Diaminoguanidinium As Adaptive Cationic Building Blocks in Guanidinium–Organosulfonatecrystalline Superstructures

Dan Dumitrescu, Yves-Marie Legrand, Florea Dumitrascu, Mihail Barboiu, and Arie van der Lee

Crystal Growth & Design, 2012, Volume 12, Number 8, Page 4258

DOI: 10.1021/cg300756g

[233]

Compressed-liquid densities of two highly polar+non-polar binary systems

Stephanie L. Outcalt and Arno Laesecke

Journal of Molecular Liquids, 2012, Volume 173, Page 91

DOI: 10.1016/j.molliq.2012.06.014

[234]

Inverse hydrogen bond: theoretical investigation on the nature of interaction and spectroscopic properties

Agnieszka Ilnicka and Joanna Sadlej

Structural Chemistry, 2012, Volume 23, Number 5, Page 1323

DOI: 10.1007/s11224-012-0063-6

[235]

Directionality of Dihydrogen Bonds: The Role of Transition Metal Atoms

Oleg A. Filippov, Natalia V. Belkova, Lina M. Epstein, Agusti Lledos, and Elena S. Shubina

ChemPhysChem, 2012, Volume 13, Number 11, Page 2677

DOI: 10.1002/cphc.201200097

[236]

Molecular structure and hydrogen bonding in 1,2-diaminopropane and 1,3-diaminopropane and their binary mixtures with water studied by NIR spectroscopy and DFT calculations

Mirosław Antoni Czarnecki

Vibrational Spectroscopy, 2012, Volume 62, Page 207

DOI: 10.1016/j.vibspec.2012.05.008

[237]

Identification of the dimethylamine-trimethylamine complex in the gas phase

Lin Du, Joseph R. Lane, and Henrik G. Kjaergaard

The Journal of Chemical Physics, 2012, Volume 136, Number 18, Page 184305

DOI: 10.1063/1.4707707

[238]

Hydrogen-Bonding Networks from First-Principles: Exploring the Guanidine Crystal

Veronika Hoepfner, Volker L. Deringer, and Richard Dronskowski

The Journal of Physical Chemistry A, 2012, Volume 116, Number 18, Page 4551

DOI: 10.1021/jp2106132

[239]

Conjugation in hydrogen-bonded systems

Yulia V. Novakovskaya

Structural Chemistry, 2012, Volume 23, Number 4, Page 1253

DOI: 10.1007/s11224-012-0029-8

[240]

Bioinformatics and variability in drug response: a protein structural perspective

J. L. Lahti, G. W. Tang, E. Capriotti, T. Liu, and R. B. Altman

Journal of The Royal Society Interface, 2012, Volume 9, Number 72, Page 1409

DOI: 10.1098/rsif.2011.0843

[241]

Bridging QTAIM with vibrational spectroscopy: the energy of intramolecular hydrogen bonds in DNA-related biomolecules

Tymofii Yu. Nikolaienko, Leonid A. Bulavin, and Dmytro M. Hovorun

Physical Chemistry Chemical Physics, 2012, Volume 14, Number 20, Page 7441

DOI: 10.1039/c2cp40176b

[242]

Towards a broadband chirped pulse Fourier transform microwave spectrometer

D. Mani, V. T. Bhat, K. J. Vinoy, and E. Arunan

Indian Journal of Physics, 2012, Volume 86, Number 3, Page 225

DOI: 10.1007/s12648-012-0043-0

[243]

Ab initio studies of some hydrogen-bonded complexes of fluoroform – Evidence for blue-shifted behaviour

Ponnadurai Ramasami and Thomas A. Ford

Journal of Molecular Structure, 2012, Volume 1023, Page 163

DOI: 10.1016/j.molstruc.2012.04.001

[244]

Preparation of Zirconium Guanidinate Complexes from the Direct Insertion of a Carbodiimine and Aminolysis Using a Guanidine. Comparison of the Reactions

Shu-Jian Chen, Brenda A. Dougan, Xue-Tai Chen, and Zi-Ling Xue

Organometallics, 2012, Volume 31, Number 8, Page 3443

DOI: 10.1021/om300097a

[245]

Communication: Competition between π⋯π interaction and halogen bond in solution: A combined 13C NMR and density functional theory study

Yu Zhang, Baoming Ji, Anmin Tian, and Weizhou Wang

The Journal of Chemical Physics, 2012, Volume 136, Number 14, Page 141101

DOI: 10.1063/1.3701155

[246]

A diabatic state model for donor-hydrogen vibrational frequency shifts in hydrogen bonded complexes

Ross H. McKenzie

Chemical Physics Letters, 2012, Volume 535, Page 196

DOI: 10.1016/j.cplett.2012.03.064

[247]

Substituent Effects on Cl···N, S···N, and P···N Noncovalent Bonds

Upendra Adhikari and Steve Scheiner

The Journal of Physical Chemistry A, 2012, Volume 116, Number 13, Page 3487

DOI: 10.1021/jp301288e

[248]

DimethylDL-2,3-dibenzyl-2,3-diisothiocyanatosuccinate

Justyna Kalinowska-Tłuścik, Dariusz Cież, and Sandrine Peyrat

Acta Crystallographica Section E Structure Reports Online, 2012, Volume 68, Number 4, Page o1025

DOI: 10.1107/S1600536812009294

[249]

Probing acid–amide intermolecular hydrogen bonding by NMR spectroscopy and DFT calculations

Sachin Rama Chaudhari and N. Suryaprakash

Journal of Molecular Structure, 2012, Volume 1016, Page 163

DOI: 10.1016/j.molstruc.2012.02.058

[250]

Electron Density Characteristics in Bond Critical Point (QTAIM) versus Interaction Energy Components (SAPT): The Case of Charge-Assisted Hydrogen Bonding

Barbara Bankiewicz, Piotr Matczak, and Marcin Palusiak

The Journal of Physical Chemistry A, 2012, Volume 116, Number 1, Page 452

DOI: 10.1021/jp210940b

[251]

Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations

Guo-Jin Cao, Hong-Guang Xu, Ren-Zhong Li, and Weijun Zheng

The Journal of Chemical Physics, 2012, Volume 136, Number 1, Page 014305

DOI: 10.1063/1.3671945

[252]

Theoretical study of the HXYH dimers (X, Y = O, S, Se). Hydrogen bonding and chalcogen–chalcogen interactions

Goar Sánchez-Sanz, Ibon Alkorta, and José Elguero

Molecular Physics, 2011, Volume 109, Number 21, Page 2543

DOI: 10.1080/00268976.2011.621458

[253]

Quantum mechanical studies of lincosamides

Katarzyna Kulczycka-Mierzejewska, Joanna Trylska, and Joanna Sadlej

Journal of Molecular Modeling, 2012, Volume 18, Number 6, Page 2727

DOI: 10.1007/s00894-011-1272-4

[254]

Basis set convergence of the coupled-cluster correction, δMP2CCSD(T): Best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases

Michael S. Marshall, Lori A. Burns, and C. David Sherrill

The Journal of Chemical Physics, 2011, Volume 135, Number 19, Page 194102

DOI: 10.1063/1.3659142

[255]

Molecular-beam study of the ammonia–noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential

Fernando Pirani, Luiz F. Roncaratti, Leonardo Belpassi, Francesco Tarantelli, and D. Cappelletti

The Journal of Chemical Physics, 2011, Volume 135, Number 19, Page 194301

DOI: 10.1063/1.3660199

[256]

Crystal packing and melting temperatures of small oxalate esters: the role of C—H...O hydrogen bonding

Sumy Joseph, Ranganathan Sathishkumar, Sudarshan Mahapatra, and Gautam R. Desiraju

Acta Crystallographica Section B Structural Science, 2011, Volume 67, Number 6, Page 525

DOI: 10.1107/S0108768111037487

[257]

Comparison of P⋯D (D = P,N) with other noncovalent bonds in molecular aggregates

Upendra Adhikari and Steve Scheiner

The Journal of Chemical Physics, 2011, Volume 135, Number 18, Page 184306

DOI: 10.1063/1.3660355

[258]

Polymorphism and Desmotropy in Heterocyclic Crystal Structures

José Elguero

Crystal Growth & Design, 2011, Volume 11, Number 11, Page 4731

DOI: 10.1021/cg200970t

[259]

Abilities of Different Electron Donors (D) to Engage in a P···D Noncovalent Interaction

Steve Scheiner and Upendra Adhikari

The Journal of Physical Chemistry A, 2011, Volume 115, Number 40, Page 11101

DOI: 10.1021/jp2082787

[260]

Halogen Bond Involving Hypervalent Halogen: CSD Search and Theoretical Study

Weizhou Wang

The Journal of Physical Chemistry A, 2011, Volume 115, Number 33, Page 9294

DOI: 10.1021/jp204744m

[261]

Microwave spectroscopic and theoretical studies on the phenylacetylene⋯H2O complex: C–H⋯O and O–H⋯π hydrogen bonds as equal partners

Mausumi Goswami and E. Arunan

Physical Chemistry Chemical Physics, 2011, Volume 13, Number 31, Page 14153

DOI: 10.1039/c1cp20690g

[262]

Infrared and microwave spectra of the acetylene–ammonia and carbonyl sulfide–ammonia complexes: a comparative study of a weak C–H⋯N hydrogen bond and an S⋯N bond

Xunchen Liu and Yunjie Xu

Physical Chemistry Chemical Physics, 2011, Volume 13, Number 31, Page 14235

DOI: 10.1039/c1cp21554j

[263]

Weak hydrogen bonds – strong effects?

W. A. Herrebout and M. A. Suhm

Physical Chemistry Chemical Physics, 2011, Volume 13, Number 31, Page 13858

DOI: 10.1039/c1cp90110a

Recently viewed (1)

My CartAdded To Cart

Pure and Applied Chemistry

The Scientific Journal of IUPAC

Most Downloaded Articles

Issues

Volume 90 (2018)

Volume 89 (2017)

Volume 88 (2016)

Volume 87 (2015)

Volume 86 (2014)

Volume 85 (2013)

Volume 84 (2012)

Volume 83 (2011)

Volume 82 (2010)

Volume 81 (2009)

Volume 80 (2008)

Volume 79 (2007)

Volume 78 (2006)

Volume 77 (2005)

Volume 76 (2004)

Volume 75 (2003)

Volume 74 (2002)

Volume 73 (2001)

Volume 72 (2000)

Volume 71 (1999)

Volume 70 (1998)

Volume 69 (1997)

Volume 68 (1996)

Volume 67 (1995)

Volume 66 (1994)

Volume 65 (1993)

Volume 64 (1992)

Volume 63 (1991)

Volume 62 (1990)

Volume 61 (1989)

Volume 60 (1988)

Volume 59 (1987)

Volume 58 (1986)

Volume 57 (1985)

Volume 56 (1984)

Volume 55 (1983)

Volume 54 (1982)

Volume 53 (1981)

Volume 52 (1980)

Volume 51 (1979)

Volume 50 (1978)

Volume 49 (1977)

Volume 48 (1976)

Volume 47 (1976)

Volume 46 (1976)

Volume 45 (1976)

Volume 44 (1975)

Volume 43 (1975)

Volume 42 (1975)

Volume 41 (1975)

Volume 40 (1974)

Volume 39 (1974)

Volume 38 (1974)

Volume 37 (1974)

Volume 36 (1973)

Volume 35 (1973)

Volume 34 (1973)

Volume 33 (1973)

Volume 32 (1972)

Volume 31 (1972)

Volume 30 (1972)

Volume 29 (1972)

Volume 28 (1971)

Volume 27 (1971)

Volume 26 (1971)

Volume 25 (1971)

Volume 24 (1970)

Volume 23 (1970)

Volume 22 (1970)

Volume 21 (1970)

Volume 20 (1969)

Volume 19 (1969)

Volume 18 (1969)

Volume 17 (1968)